For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Ethylsulfanylethyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
SpectraBase Compound ID FeyqQbSsfFK
InChI InChI=1S/C21H23F2NO3S/c1-3-28-10-9-27-21(26)18-12(2)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)11-13/h7-8,11,19,24H,3-6,9-10H2,1-2H3
InChIKey HGFAJJZBTMFLHG-UHFFFAOYSA-N
Mol Weight 407.48 g/mol
Molecular Formula C21H23F2NO3S
Exact Mass 407.136671 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4NBbufCUZkP
Name 2-Ethylsulfanylethyl 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23F2NO3S
InChI InChI=1S/C21H23F2NO3S/c1-3-28-10-9-27-21(26)18-12(2)24-16-5-4-6-17(25)20(16)19(18)13-7-8-14(22)15(23)11-13/h7-8,11,19,24H,3-6,9-10H2,1-2H3
InChIKey HGFAJJZBTMFLHG-UHFFFAOYSA-N
Molecular Weight 407.476 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)c1cc(F)c(cc1)F)C(=O)OCCSCC)C
SPLASH splash10-06ri-9351100000-8eaf145a80bba79ed26c
Synonyms 2-Ethylsulfanylethyl 4-[3,4-bis(fluoranyl)phenyl]-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate 4-(3,4-difluorophenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester 4-(3,4-difluorophenyl)-5-keto-2-methyl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylic acid 2-(ethylthio)ethyl ester
Wiley ID 1458977